[4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone

C25H25N5O — CID 97447816

IUPAC[4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2nc3ccc(NCc4ccccc4)cn3n2)CC1
InChIInChI=1S/C25H25N5O/c31-25(21-9-5-2-6-10-21)29-15-13-20(14-16-29)24-27-23-12-11-22(18-30(23)28-24)26-17-19-7-3-1-4-8-19/h1-12,18,20,26H,13-17H2
InChIKeyPVUUDEHMDUNDMT-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.36
Rot. Bonds5

About [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone

[4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 97447816) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID97447816
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name[4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2nc3ccc(NCc4ccccc4)cn3n2)CC1
InChIInChI=1S/C25H25N5O/c31-25(21-9-5-2-6-10-21)29-15-13-20(14-16-29)24-27-23-12-11-22(18-30(23)28-24)26-17-19-7-3-1-4-8-19/h1-12,18,20,26H,13-17H2
InChIKeyPVUUDEHMDUNDMT-UHFFFAOYSA-N
XLogP4.36
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 97447825
[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97362352
[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155833117
[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837546
pyridin-3-yl-[4-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849998
furan-2-yl-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
CID 97362299
furan-2-yl-[4-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155841042
azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone
CID 121260961
2-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155829351
2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 118746239
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847216
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847875

Frequently Asked Questions

What is the IUPAC name of [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone (CID 97447816) is [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(c2nc3ccc(NCc4ccccc4)cn3n2)CC1.
What is the InChIKey of [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is PVUUDEHMDUNDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c31-25(21-9-5-2-6-10-21)29-15-13-20(14-16-29)24-27-23-12-11-22(18-30(23)28-24)26-17-19-7-3-1-4-8-19/h1-12,18,20,26H,13-17H2.
What are the key properties of [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone?
[4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 411.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 97447816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).